1,5-Hexanediol - ≥99% , CAS No.928-40-5

CAS: 928-40-5 Cat. No.: H474422 Formule: CH₃CH(OH)(CH₂)₄OH Poids moléculaire: 118.17 Numéro CE: 213-171-3

QUALITÉ & PURETÉ ≥99%

Synonyms

(+/-)-1,5-Hexanediol|1,5-Hexanediol|3-cyclopentyl-4-nitroisoxazole-5-carboxamide|Hexane-1,5-diol

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Surface tension and binding constants were studied for 1,5-hexanediol.

Spécifications

Synonymes

(+/-)-1,5-Hexanediol | 1,5-Hexanediol | 3-cyclopentyl-4-nitroisoxazole-5-carboxamide | Hexane-1,5-diol

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

Pubchem Sid

508807115

Sourires canoniques

CC(CCCCO)O

IUPAC Name

hexane-1,5-diol

InChIKey

UNVGBIALRHLALK-UHFFFAOYSA-N

INCHI

1S/C6H14O2/c1-6(8)4-2-3-5-7/h6-8H,2-5H2,1H3

Isomères SMILES

CC(CCCCO)O

WGK Allemagne

2

RTECS

MO2080000

Poids moléculaire

118.17

Reaxy-Rn

1732705

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732705&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Secondary alcohols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Indice de réfraction: n20/D 1.451 (lit.)
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 89-91 °C/0.5 mmHg (lit.)
• Poids moléculaire: 118.170 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 118.099 Da
• Monoisotopic Mass: 118.099 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 45.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1